N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

C23H37N5O2 — CID 95831231

IUPACN,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2
InChIInChI=1S/C23H37N5O2/c1-6-26(7-2)21(30)15-27-13-8-9-19(27)22-24-17(5)18-10-11-20(29)28(23(18)25-22)14-12-16(3)4/h16,19H,6-15H2,1-5H3/t19-/m0/s1
InChIKeyJMXBUJWLTKUDMY-IBGZPJMESA-N
MW415.58 g/mol
LogP3.12
Rot. Bonds8

About N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 95831231) has the molecular formula C23H37N5O2 and a molecular weight of 415.58 g/mol. Its IUPAC name is N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID95831231
Molecular FormulaC23H37N5O2
Molecular Weight415.58 g/mol
Exact Mass415.29
IUPAC NameN,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2
InChIInChI=1S/C23H37N5O2/c1-6-26(7-2)21(30)15-27-13-8-9-19(27)22-24-17(5)18-10-11-20(29)28(23(18)25-22)14-12-16(3)4/h16,19H,6-15H2,1-5H3/t19-/m0/s1
InChIKeyJMXBUJWLTKUDMY-IBGZPJMESA-N
XLogP3.12
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (CID 95831231) is N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(CCC(C)C)C(=O)CC2.
What is the InChIKey of N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is JMXBUJWLTKUDMY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H37N5O2/c1-6-26(7-2)21(30)15-27-13-8-9-19(27)22-24-17(5)18-10-11-20(29)28(23(18)25-22)14-12-16(3)4/h16,19H,6-15H2,1-5H3/t19-/m0/s1.
What are the key properties of N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 415.58 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95831231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).